(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxybenzyl)-3-pyrrolidinol
11101
Reference
(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxybenzyl)-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-5-[3-[(2-Chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
ID: Reference11101
Other Names: NAT18-382918
Formula: C21H21ClFN3O3
Spectral Data
(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxybenzyl)-3-pyrrolidinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1120 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/3/2021 1:26:19 PM |
Identificators
| InChI | InChI=1S/C21H21ClFN3O3/c1-28-19-5-3-2-4-14(19)11-26-12-16(27)10-18(26)21-24-20(25-29-21)8-13-6-7-15(23)9-17(13)22/h2-7,9,16,18,27H,8,10-12H2,1H3/t16-,18+/m1/s1 |
| InChI Key | BGZDOZKPGUNHNL-AEFFLSMTSA-N |
| Canonical SMILES | COC1=CC=CC=C1CN2CC(CC2C3=NC(=NO3)CC4=C(C=C(C=C4)F)Cl)O |
| CAS | |
| Splash | |
| Other Names | NAT18-382918 |